chempirical

N-Benzoylcytidine

C16H17N3O6CAS 13089-48-0347.33 g/mol

Open in Covalent MOL file
ONNOOHOHHOOHN
AlcoholEtherPhenol

Properties

Molecular formula
C16H17N3O6
Molar mass
347.33 g/mol
Exact mass
347.1117 Da
Melting point
232 °C (decomposes)
logP
-1.06Crippen estimate
Polar surface area
137.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
3
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
13089-48-0
SMILES
O=C(N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1)c1ccccc1
InChIKey
BNXBRFDWSPXODM-BPGGGUHBSA-N
InChI
InChI=1S/C16H17N3O6/c20-8-10-12(21)13(22)15(25-10)19-7-6-11(18-16(19)24)17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,20-22H,8H2,(H,17,18,23,24)/t10-,12-,13-,15-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Cytidine, N-benzoyl-
  • Benzamide, N-(1,2-dihydro-2-oxo-1-β-D-ribofuranosyl-4-pyrimidinyl)-
  • N6-Benzoylcytidine
  • N4-Benzoylcytidine
  • NSC 242979

Work with N-Benzoylcytidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N4-Benzoyl-2′-deoxycytidine4836-13-969 % similar Enocitabine55726-47-164 % similar Cytarabine147-94-457 % similar Cytidine65-46-357 % similar Cytarabine hydrochloride69-74-954 % similar Sapacitabine151823-14-254 % similar Cytidine, sulfate (salt)32747-18-552 % similar Azacytidine320-67-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook